N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C29H35N9O3 — CID 170634422

About N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634422) has the molecular formula C29H35N9O3 and a molecular weight of 557.66 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• PubChem CID: 170634422
• Molecular Formula: C29H35N9O3
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.29
• IUPAC Name: N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCC3(CCOCC3)CC2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
• InChI: InChI=1S/C29H35N9O3/c1-20-24(33-28(40)26-35-34-25-16-21(3-9-38(25)26)23-18-32-36(2)19-23)15-22(17-31-20)27(39)30-8-12-37-10-4-29(5-11-37)6-13-41-14-7-29/h3,9,15-19H,4-8,10-14H2,1-2H3,(H,30,39)(H,33,40)
• InChIKey: XWHGNJLCVJKXBJ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 131.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634422) is N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCC3(CCOCC3)CC2)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12.

What is the InChIKey of N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is XWHGNJLCVJKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O3/c1-20-24(33-28(40)26-35-34-25-16-21(3-9-38(25)26)23-18-32-36(2)19-23)15-22(17-31-20)27(39)30-8-12-37-10-4-29(5-11-37)6-13-41-14-7-29/h3,9,15-19H,4-8,10-14H2,1-2H3,(H,30,39)(H,33,40).

What are the key properties of N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 557.66 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).